4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C16H14FN7 — CID 67113474

IUPAC4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1cc(-c2nc(Nc3cnn(C)c3)nc3[nH]ncc23)ccc1F
InChIInChI=1S/C16H14FN7/c1-9-5-10(3-4-13(9)17)14-12-7-18-23-15(12)22-16(21-14)20-11-6-19-24(2)8-11/h3-8H,1-2H3,(H2,18,20,21,22,23)
InChIKeyBORTVVOPGGKYAE-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.94
Rot. Bonds3

About 4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 67113474) has the molecular formula C16H14FN7 and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID67113474
Molecular FormulaC16H14FN7
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1cc(-c2nc(Nc3cnn(C)c3)nc3[nH]ncc23)ccc1F
InChIInChI=1S/C16H14FN7/c1-9-5-10(3-4-13(9)17)14-12-7-18-23-15(12)22-16(21-14)20-11-6-19-24(2)8-11/h3-8H,1-2H3,(H2,18,20,21,22,23)
InChIKeyBORTVVOPGGKYAE-UHFFFAOYSA-N
XLogP2.94
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 67113474) is 4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is Cc1cc(-c2nc(Nc3cnn(C)c3)nc3[nH]ncc23)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is BORTVVOPGGKYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN7/c1-9-5-10(3-4-13(9)17)14-12-7-18-23-15(12)22-16(21-14)20-11-6-19-24(2)8-11/h3-8H,1-2H3,(H2,18,20,21,22,23).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 323.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 67113474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).